2-[4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H31N5O2/c1-18-22(19(2)28(24-18)16-20-8-4-3-5-9-20)23(30)27-14-12-25(13-15-27)17-21(29)26-10-6-7-11-26/h3-5,8-9H,6-7,10-17H2,1-2H3/p+1